N-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine

C16H23N3 — CID 115209330

IUPACN-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine
SMILESCn1cc(CNCC2CCCCN2)c2ccccc21
InChIInChI=1S/C16H23N3/c1-19-12-13(15-7-2-3-8-16(15)19)10-17-11-14-6-4-5-9-18-14/h2-3,7-8,12,14,17-18H,4-6,9-11H2,1H3
InChIKeyNUXBKFSZRMKPBW-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.41
Rot. Bonds4

About N-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine

N-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine (PubChem CID 115209330) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine
PubChem CID115209330
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine
SMILESCn1cc(CNCC2CCCCN2)c2ccccc21
InChIInChI=1S/C16H23N3/c1-19-12-13(15-7-2-3-8-16(15)19)10-17-11-14-6-4-5-9-18-14/h2-3,7-8,12,14,17-18H,4-6,9-11H2,1H3
InChIKeyNUXBKFSZRMKPBW-UHFFFAOYSA-N
XLogP2.41
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylindol-3-yl)methyl]-1-(thian-2-yl)methanamine
CID 107235936
2-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235324
N-(naphthalen-1-ylmethyl)-1-piperidin-2-ylmethanamine
CID 106633869
N-methyl-N-[(1-methylindol-3-yl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 106602546
2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107236202
1-cyclohex-3-en-1-yl-N-[(1-methylindol-3-yl)methyl]methanamine
CID 107235576
N-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine
CID 107236114
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
1-methyl-3-[(1-methylimidazolidin-4-yl)methyl]indole
CID 141427495
N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731898
2-[(pyrrolidin-2-ylmethylamino)methyl]phenol
CID 103846509
2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol
CID 107236127

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine?
The IUPAC name of N-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine (CID 115209330) is N-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine.
What is the SMILES notation for N-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine?
The canonical SMILES for N-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine is Cn1cc(CNCC2CCCCN2)c2ccccc21.
What is the InChIKey of N-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine?
The InChIKey is NUXBKFSZRMKPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-19-12-13(15-7-2-3-8-16(15)19)10-17-11-14-6-4-5-9-18-14/h2-3,7-8,12,14,17-18H,4-6,9-11H2,1H3.
What are the key properties of N-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine?
N-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine has a molecular weight of 257.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine is sourced from PubChem (CID 115209330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).