N,N-dimethyl-1-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]piperidin-4-amine

C18H31N3 — CID 62433546

IUPACN,N-dimethyl-1-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]piperidin-4-amine
SMILESCC(C)NCc1ccc(CN2CCC(N(C)C)CC2)cc1
InChIInChI=1S/C18H31N3/c1-15(2)19-13-16-5-7-17(8-6-16)14-21-11-9-18(10-12-21)20(3)4/h5-8,15,18-19H,9-14H2,1-4H3
InChIKeyOLQIGVCSEMCBMA-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.71
Rot. Bonds6

About N,N-dimethyl-1-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]piperidin-4-amine

N,N-dimethyl-1-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]piperidin-4-amine (PubChem CID 62433546) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N,N-dimethyl-1-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]piperidin-4-amine
PubChem CID62433546
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN,N-dimethyl-1-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]piperidin-4-amine
SMILESCC(C)NCc1ccc(CN2CCC(N(C)C)CC2)cc1
InChIInChI=1S/C18H31N3/c1-15(2)19-13-16-5-7-17(8-6-16)14-21-11-9-18(10-12-21)20(3)4/h5-8,15,18-19H,9-14H2,1-4H3
InChIKeyOLQIGVCSEMCBMA-UHFFFAOYSA-N
XLogP2.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(azepan-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62438547
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419563
N-[[4-[(4,4-dimethylazepan-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 65286612
1-[[2-bromo-4-[(propan-2-ylamino)methyl]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 102770943
N-[[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine;molecular hydrogen
CID 155740671
N-[[4-[[4-(2-methylbutyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine
CID 155707430
2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 105351724
N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 62593449
N,N-dimethyl-1-[2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-amine
CID 43586297
4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzenecarboximidamide
CID 43586087
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]methyl]propan-2-amine
CID 63980069

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]piperidin-4-amine (CID 62433546) is N,N-dimethyl-1-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]piperidin-4-amine is CC(C)NCc1ccc(CN2CCC(N(C)C)CC2)cc1.
What is the InChIKey of N,N-dimethyl-1-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]piperidin-4-amine?
The InChIKey is OLQIGVCSEMCBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-15(2)19-13-16-5-7-17(8-6-16)14-21-11-9-18(10-12-21)20(3)4/h5-8,15,18-19H,9-14H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]piperidin-4-amine?
N,N-dimethyl-1-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]piperidin-4-amine has a molecular weight of 289.47 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 62433546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).