6-piperidin-4-yl-5-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine

C18H31N3O — CID 67545930

IUPAC6-piperidin-4-yl-5-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine
SMILESCC[C@H](COC1=C(C2CCNCC2)NCC=C1)N1CCCC1
InChIInChI=1S/C18H31N3O/c1-2-16(21-12-3-4-13-21)14-22-17-6-5-9-20-18(17)15-7-10-19-11-8-15/h5-6,15-16,19-20H,2-4,7-14H2,1H3/t16-/m1/s1
InChIKeyZHCFPYLNBDILKB-MRXNPFEDSA-N
MW305.47 g/mol
LogP2.25
Rot. Bonds6

About 6-piperidin-4-yl-5-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine

6-piperidin-4-yl-5-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine (PubChem CID 67545930) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 6-piperidin-4-yl-5-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine.

Molecular Properties

Compound Name6-piperidin-4-yl-5-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine
PubChem CID67545930
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name6-piperidin-4-yl-5-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine
SMILESCC[C@H](COC1=C(C2CCNCC2)NCC=C1)N1CCCC1
InChIInChI=1S/C18H31N3O/c1-2-16(21-12-3-4-13-21)14-22-17-6-5-9-20-18(17)15-7-10-19-11-8-15/h5-6,15-16,19-20H,2-4,7-14H2,1H3/t16-/m1/s1
InChIKeyZHCFPYLNBDILKB-MRXNPFEDSA-N
XLogP2.25
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-piperidin-4-yl-5-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine;trihydrochloride
CID 67545929
2-piperidin-4-yl-3-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine;trihydrochloride
CID 67545932
(2S,5R)-2-(3-methoxycyclohexa-2,4-dien-1-yl)-5-methylmorpholine
CID 68213133
(2S,5S)-2-(3-methoxycyclohexa-2,4-dien-1-yl)-5-methylmorpholine
CID 68213203
7-[2-(Dimethylamino)ethoxy]-1,2,3-trimethyl-3a,4-dihydroindol-4-amine
CID 129236529
5-Methoxy-2-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine
CID 135135401
1-[5-methoxy-4-(2-piperidin-1-ylethoxy)cyclohexa-2,4-dien-1-yl]-N-methylmethanamine
CID 164139513
N-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]-N-methylpiperidin-4-amine
CID 164737027
N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]-1-methylpiperidin-4-amine
CID 166648811
N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]-N-methylpiperidin-4-amine
CID 166648816
N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-4-amine
CID 166649007
N-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]-1-methylpiperidin-4-amine
CID 167000989

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-4-yl-5-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine?
The IUPAC name of 6-piperidin-4-yl-5-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine (CID 67545930) is 6-piperidin-4-yl-5-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine.
What is the SMILES notation for 6-piperidin-4-yl-5-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine?
The canonical SMILES for 6-piperidin-4-yl-5-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine is CC[C@H](COC1=C(C2CCNCC2)NCC=C1)N1CCCC1.
What is the InChIKey of 6-piperidin-4-yl-5-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine?
The InChIKey is ZHCFPYLNBDILKB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H31N3O/c1-2-16(21-12-3-4-13-21)14-22-17-6-5-9-20-18(17)15-7-10-19-11-8-15/h5-6,15-16,19-20H,2-4,7-14H2,1H3/t16-/m1/s1.
What are the key properties of 6-piperidin-4-yl-5-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine?
6-piperidin-4-yl-5-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine has a molecular weight of 305.47 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-4-yl-5-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine is sourced from PubChem (CID 67545930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).