1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]piperidine

C11H22N2 — CID 11126915

IUPAC1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]piperidine
SMILESCN1CCC[C@H]1CN1CCCCC1
InChIInChI=1S/C11H22N2/c1-12-7-5-6-11(12)10-13-8-3-2-4-9-13/h11H,2-10H2,1H3/t11-/m0/s1
InChIKeyVCVPSRADUBPOKJ-NSHDSACASA-N
MW182.31 g/mol
LogP1.57
Rot. Bonds2

About 1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]piperidine

1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]piperidine (PubChem CID 11126915) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]piperidine
PubChem CID11126915
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]piperidine
SMILESCN1CCC[C@H]1CN1CCCCC1
InChIInChI=1S/C11H22N2/c1-12-7-5-6-11(12)10-13-8-3-2-4-9-13/h11H,2-10H2,1H3/t11-/m0/s1
InChIKeyVCVPSRADUBPOKJ-NSHDSACASA-N
XLogP1.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Pyrrolidin-1-yl)piperidine
CID 573611
1-[(Pyrrolidin-2-yl)methyl]piperidine
CID 3973870
1-[2-(Pyrrolidin-1-yl)ethyl]piperidin-4-amine
CID 18001963
8-Ethyl-8-aza-5-azoniaspiro[4.5]decane bromide
CID 44285630
1-Methyl-2-(2-pyrrolidin-1-ylethyl)piperidine
CID 54046510
1-Propyl-4-(1-pyrrolidinyl)piperidine
CID 742600
Cambridge id 5452134
CID 783765
Piperidine, 1-(2-dimethylamino)ethyl-
CID 12294001
1-Ethyl-4-(pyrrolidin-2-ylmethyl)piperazine
CID 17389816
1-Cyclopentyl-4-(methylethyl)piperazine
CID 796140
N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine
CID 43373540
1-(1-Methylpiperidin-4-yl)pyrrolidin-3-amine
CID 43373544

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]piperidine?
The IUPAC name of 1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]piperidine (CID 11126915) is 1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]piperidine.
What is the SMILES notation for 1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]piperidine?
The canonical SMILES for 1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]piperidine is CN1CCC[C@H]1CN1CCCCC1.
What is the InChIKey of 1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]piperidine?
The InChIKey is VCVPSRADUBPOKJ-NSHDSACASA-N. The full InChI is InChI=1S/C11H22N2/c1-12-7-5-6-11(12)10-13-8-3-2-4-9-13/h11H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of 1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]piperidine?
1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]piperidine has a molecular weight of 182.31 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]piperidine is sourced from PubChem (CID 11126915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).