3-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine

C13H23N3 — CID 66409579

IUPAC3-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
SMILESc1cc(CNCCCN2CCCCC2)c[nH]1
InChIInChI=1S/C13H23N3/c1-2-8-16(9-3-1)10-4-6-14-11-13-5-7-15-12-13/h5,7,12,14-15H,1-4,6,8-11H2
InChIKeyAAFQHWPRKXTQOM-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.98
Rot. Bonds6

About 3-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine

3-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine (PubChem CID 66409579) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
PubChem CID66409579
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
SMILESc1cc(CNCCCN2CCCCC2)c[nH]1
InChIInChI=1S/C13H23N3/c1-2-8-16(9-3-1)10-4-6-14-11-13-5-7-15-12-13/h5,7,12,14-15H,1-4,6,8-11H2
InChIKeyAAFQHWPRKXTQOM-UHFFFAOYSA-N
XLogP1.98
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-pyrrolidin-1-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66409144
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
N-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657718
N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657714
3-piperidin-1-yl-N-(pyridazin-4-ylmethyl)propan-1-amine
CID 113439259
N-benzyl-6-piperidin-1-ylhexan-1-amine
CID 54404338
3-chloro-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 115215629
3-(2-pyrrolidin-1-ylethyl)-1H-pyrrole
CID 174722909
3-(4-methylpiperazin-1-yl)-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899289
3-pyrrolidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103437796
5-(1H-pyrrol-3-ylmethylamino)pentan-1-ol
CID 107302884
N-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657741

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine (CID 66409579) is 3-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine is c1cc(CNCCCN2CCCCC2)c[nH]1.
What is the InChIKey of 3-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine?
The InChIKey is AAFQHWPRKXTQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-2-8-16(9-3-1)10-4-6-14-11-13-5-7-15-12-13/h5,7,12,14-15H,1-4,6,8-11H2.
What are the key properties of 3-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine?
3-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 66409579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).