N-methyl-N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine

C13H21N3 — CID 86329926

IUPACN-methyl-N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
SMILESC[C@@H](c1ccccn1)N(C)C1CCNCC1
InChIInChI=1S/C13H21N3/c1-11(13-5-3-4-8-15-13)16(2)12-6-9-14-10-7-12/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3/t11-/m0/s1
InChIKeyQDRDELKPSKFSBU-NSHDSACASA-N
MW219.33 g/mol
LogP1.83
Rot. Bonds3

About N-methyl-N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine

N-methyl-N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine (PubChem CID 86329926) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
PubChem CID86329926
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-methyl-N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
SMILESC[C@@H](c1ccccn1)N(C)C1CCNCC1
InChIInChI=1S/C13H21N3/c1-11(13-5-3-4-8-15-13)16(2)12-6-9-14-10-7-12/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3/t11-/m0/s1
InChIKeyQDRDELKPSKFSBU-NSHDSACASA-N
XLogP1.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride
CID 71637515
(3R)-N-methyl-N-(1-pyridin-2-ylethyl)piperidin-3-amine
CID 71637504
N-methyl-N-[(1S)-1-pyrazin-2-ylethyl]piperidin-4-amine
CID 86329861
2-(1-piperidin-4-yloxyethyl)pyridine
CID 71637942
N-methyl-N-piperidin-4-ylpyridin-2-amine;hydrochloride
CID 71641470
1-pyridin-2-yl-N,N-bis(1-pyridin-2-ylethyl)ethanamine
CID 15806675
N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 81401330
N-methyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 71637592
tert-butyl 3-[methyl(1-pyridin-2-ylethyl)amino]pyrrolidine-1-carboxylate
CID 71633239
(3S)-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 71637667
N-ethyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 60806467
(1S)-N-methyl-N-[(3R)-piperidin-3-yl]-1-pyridin-2-ylethanesulfonamide
CID 97162035

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine?
The IUPAC name of N-methyl-N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine (CID 86329926) is N-methyl-N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine?
The canonical SMILES for N-methyl-N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine is C[C@@H](c1ccccn1)N(C)C1CCNCC1.
What is the InChIKey of N-methyl-N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine?
The InChIKey is QDRDELKPSKFSBU-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3/c1-11(13-5-3-4-8-15-13)16(2)12-6-9-14-10-7-12/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of N-methyl-N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine?
N-methyl-N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine has a molecular weight of 219.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine is sourced from PubChem (CID 86329926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).