[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine

C13H27N3 — CID 61493948

IUPAC[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1CCCN1CCCC1
InChIInChI=1S/C13H27N3/c14-12-13-6-1-2-10-16(13)11-5-9-15-7-3-4-8-15/h13H,1-12,14H2
InChIKeyLWZMEPKXQZXENC-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.29
Rot. Bonds5

About [1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine

[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine (PubChem CID 61493948) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is [1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine
PubChem CID61493948
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1CCCN1CCCC1
InChIInChI=1S/C13H27N3/c14-12-13-6-1-2-10-16(13)11-5-9-15-7-3-4-8-15/h13H,1-12,14H2
InChIKeyLWZMEPKXQZXENC-UHFFFAOYSA-N
XLogP1.29
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(bromomethyl)-1-(3-pyrrolidin-1-ylpropyl)azepane
CID 116638388
(1-butylazepan-2-yl)methanamine
CID 116640391
(1-dodecylpiperidin-2-yl)methanamine
CID 63405140
4-[2-(aminomethyl)azepan-1-yl]butan-1-ol
CID 116640497
(1-dodecylazepan-2-yl)methanamine
CID 116640397
2-(2-bromopropyl)-1-(3-pyrrolidin-1-ylpropyl)azepane
CID 112748032
[1-(4-methoxybutyl)piperidin-2-yl]methanamine
CID 115741337
2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]acetic acid
CID 54960865
2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methyl]propan-1-amine
CID 62579879
[1-(2-cyclopropylethyl)azepan-2-yl]methanamine
CID 116640428
[(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine
CID 97052114
[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]methanamine
CID 61493086

Frequently Asked Questions

What is the IUPAC name of [1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine?
The IUPAC name of [1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine (CID 61493948) is [1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine?
The canonical SMILES for [1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine is NCC1CCCCN1CCCN1CCCC1.
What is the InChIKey of [1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine?
The InChIKey is LWZMEPKXQZXENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c14-12-13-6-1-2-10-16(13)11-5-9-15-7-3-4-8-15/h13H,1-12,14H2.
What are the key properties of [1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine?
[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine has a molecular weight of 225.38 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 61493948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).