1-piperidin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine

C18H29N3 — CID 83962741

IUPAC1-piperidin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine
SMILESc1cc(CN2CCCC2)ccc1CNCC1CCCNC1
InChIInChI=1S/C18H29N3/c1-2-11-21(10-1)15-17-7-5-16(6-8-17)12-20-14-18-4-3-9-19-13-18/h5-8,18-20H,1-4,9-15H2
InChIKeyCRHAELHIRKWGNX-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.37
Rot. Bonds6

About 1-piperidin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine

1-piperidin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine (PubChem CID 83962741) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-piperidin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-piperidin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine
PubChem CID83962741
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-piperidin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine
SMILESc1cc(CN2CCCC2)ccc1CNCC1CCCNC1
InChIInChI=1S/C18H29N3/c1-2-11-21(10-1)15-17-7-5-16(6-8-17)12-20-14-18-4-3-9-19-13-18/h5-8,18-20H,1-4,9-15H2
InChIKeyCRHAELHIRKWGNX-UHFFFAOYSA-N
XLogP2.37
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-4-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanamine
CID 83962788
N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 80553020
N-[(6-chloro-3-pyridinyl)methyl]-1-[(3R)-piperidin-3-yl]methanamine
CID 97163566
N-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 80553737
4-[(piperidin-3-ylmethylamino)methyl]benzenesulfonamide
CID 80553043
N-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 97163567
N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 95731896
2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119460598
(3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 81119070
2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460597
N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 10726362
N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine
CID 115209662

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-piperidin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine (CID 83962741) is 1-piperidin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-piperidin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-piperidin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine is c1cc(CN2CCCC2)ccc1CNCC1CCCNC1.
What is the InChIKey of 1-piperidin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine?
The InChIKey is CRHAELHIRKWGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-2-11-21(10-1)15-17-7-5-16(6-8-17)12-20-14-18-4-3-9-19-13-18/h5-8,18-20H,1-4,9-15H2.
What are the key properties of 1-piperidin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine?
1-piperidin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine has a molecular weight of 287.45 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 83962741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).