N,1-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine

C11H23N3 — CID 66755408

IUPACN,1-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine
SMILESCN1CCC(N(C)[C@H]2CCNC2)CC1
InChIInChI=1S/C11H23N3/c1-13-7-4-10(5-8-13)14(2)11-3-6-12-9-11/h10-12H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyBQBZXRDUYMTEDE-NSHDSACASA-N
MW197.33 g/mol
LogP0.37
Rot. Bonds2

About N,1-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine

N,1-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 66755408) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N,1-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine
PubChem CID66755408
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN,1-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine
SMILESCN1CCC(N(C)[C@H]2CCNC2)CC1
InChIInChI=1S/C11H23N3/c1-13-7-4-10(5-8-13)14(2)11-3-6-12-9-11/h10-12H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyBQBZXRDUYMTEDE-NSHDSACASA-N
XLogP0.37
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine (CID 66755408) is N,1-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine is CN1CCC(N(C)[C@H]2CCNC2)CC1.
What is the InChIKey of N,1-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is BQBZXRDUYMTEDE-NSHDSACASA-N. The full InChI is InChI=1S/C11H23N3/c1-13-7-4-10(5-8-13)14(2)11-3-6-12-9-11/h10-12H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of N,1-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine?
N,1-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 197.33 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 66755408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).