4-[1-[4-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethyl]pyridin-2-amine

C29H38N6O — CID 71176267

IUPAC4-[1-[4-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethyl]pyridin-2-amine
SMILESCc1ccc(N2CCN(Cc3ccc(OC4CCN(C(C)c5ccnc(N)c5)CC4)cc3)CC2)nc1
InChIInChI=1S/C29H38N6O/c1-22-3-8-29(32-20-22)35-17-15-33(16-18-35)21-24-4-6-26(7-5-24)36-27-10-13-34(14-11-27)23(2)25-9-12-31-28(30)19-25/h3-9,12,19-20,23,27H,10-11,13-18,21H2,1-2H3,(H2,30,31)
InChIKeyGKSSTRUUUSYONX-UHFFFAOYSA-N
MW486.66 g/mol
LogP4.29
Rot. Bonds7

About 4-[1-[4-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethyl]pyridin-2-amine

4-[1-[4-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethyl]pyridin-2-amine (PubChem CID 71176267) has the molecular formula C29H38N6O and a molecular weight of 486.66 g/mol. Its IUPAC name is 4-[1-[4-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[1-[4-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethyl]pyridin-2-amine
PubChem CID71176267
Molecular FormulaC29H38N6O
Molecular Weight486.66 g/mol
Exact Mass486.31
IUPAC Name4-[1-[4-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethyl]pyridin-2-amine
SMILESCc1ccc(N2CCN(Cc3ccc(OC4CCN(C(C)c5ccnc(N)c5)CC4)cc3)CC2)nc1
InChIInChI=1S/C29H38N6O/c1-22-3-8-29(32-20-22)35-17-15-33(16-18-35)21-24-4-6-26(7-5-24)36-27-10-13-34(14-11-27)23(2)25-9-12-31-28(30)19-25/h3-9,12,19-20,23,27H,10-11,13-18,21H2,1-2H3,(H2,30,31)
InChIKeyGKSSTRUUUSYONX-UHFFFAOYSA-N
XLogP4.29
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[1-[4-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethyl]pyridin-2-amine with MolForge

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Related Compounds

4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 90245740
5-[(4-phenoxypiperidin-1-yl)methyl]-2-pyrrolidin-1-ylpyridine
CID 138042107
5-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898672
1-[5-(2,3-dimethylbutan-2-yl)-2-pyridinyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 59019360
1-[(4-chlorophenyl)-phenylmethyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine
CID 44523966
5-ethyl-2-[4-[4-[(4-methylsulfinylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]pyrimidine
CID 66874331
4-[[4-[4-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)phenoxy]piperidin-1-yl]methyl]pyridin-2-amine
CID 44816518
1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine
CID 155403164
6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyridin-3-amine
CID 9161682
2-[1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidin-4-yl]pyridine;1-[[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-pyridin-2-ylpiperazine
CID 90033676
N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine
CID 62592660
8-chloro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxyisoquinoline;hydrochloride
CID 162340373

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethyl]pyridin-2-amine?
The IUPAC name of 4-[1-[4-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethyl]pyridin-2-amine (CID 71176267) is 4-[1-[4-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethyl]pyridin-2-amine.
What is the SMILES notation for 4-[1-[4-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethyl]pyridin-2-amine?
The canonical SMILES for 4-[1-[4-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethyl]pyridin-2-amine is Cc1ccc(N2CCN(Cc3ccc(OC4CCN(C(C)c5ccnc(N)c5)CC4)cc3)CC2)nc1.
What is the InChIKey of 4-[1-[4-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethyl]pyridin-2-amine?
The InChIKey is GKSSTRUUUSYONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O/c1-22-3-8-29(32-20-22)35-17-15-33(16-18-35)21-24-4-6-26(7-5-24)36-27-10-13-34(14-11-27)23(2)25-9-12-31-28(30)19-25/h3-9,12,19-20,23,27H,10-11,13-18,21H2,1-2H3,(H2,30,31).
What are the key properties of 4-[1-[4-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethyl]pyridin-2-amine?
4-[1-[4-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethyl]pyridin-2-amine has a molecular weight of 486.66 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethyl]pyridin-2-amine is sourced from PubChem (CID 71176267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).