[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine

C13H27N3 — CID 114515912

IUPAC[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine
SMILESCN1CCC(CCN2CCC(CN)C2)CC1
InChIInChI=1S/C13H27N3/c1-15-6-2-12(3-7-15)4-8-16-9-5-13(10-14)11-16/h12-13H,2-11,14H2,1H3
InChIKeyVDOOBRBDNHPHBO-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.00
Rot. Bonds4

About [1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine

[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine (PubChem CID 114515912) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is [1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine
PubChem CID114515912
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine
SMILESCN1CCC(CCN2CCC(CN)C2)CC1
InChIInChI=1S/C13H27N3/c1-15-6-2-12(3-7-15)4-8-16-9-5-13(10-14)11-16/h12-13H,2-11,14H2,1H3
InChIKeyVDOOBRBDNHPHBO-UHFFFAOYSA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
CID 21129707
[(3S)-1-butylpyrrolidin-3-yl]methanamine
CID 42257234
ethane;(1-methylpiperidin-4-yl)methanamine
CID 91043349
[1-(3-methoxy-3-methylbutyl)pyrrolidin-3-yl]methanamine
CID 103034833
[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 24703103
[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 43373551
N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]azetidin-3-amine
CID 138646011
[1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine
CID 156595342
[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine
CID 116616921
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]-N-methylcyclopropanamine
CID 62977792
2-[1-(2-cyclopropylethyl)pyrrolidin-3-yl]ethanol
CID 115665613
6-[3-(aminomethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103815424

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine (CID 114515912) is [1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine is CN1CCC(CCN2CCC(CN)C2)CC1.
What is the InChIKey of [1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine?
The InChIKey is VDOOBRBDNHPHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-15-6-2-12(3-7-15)4-8-16-9-5-13(10-14)11-16/h12-13H,2-11,14H2,1H3.
What are the key properties of [1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine?
[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine has a molecular weight of 225.38 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 114515912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).