(3S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-ethyl-3-methylpiperidin-4-amine

C18H29N3O — CID 99849124

IUPAC(3S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-ethyl-3-methylpiperidin-4-amine
SMILESCCN1CC[C@H](NCc2ccnc(OCC3CC3)c2)[C@@H](C)C1
InChIInChI=1S/C18H29N3O/c1-3-21-9-7-17(14(2)12-21)20-11-16-6-8-19-18(10-16)22-13-15-4-5-15/h6,8,10,14-15,17,20H,3-5,7,9,11-13H2,1-2H3/t14-,17-/m0/s1
InChIKeyMNYWMMGUVMHAIH-YOEHRIQHSA-N
MW303.45 g/mol
LogP2.69
Rot. Bonds7

About (3S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-ethyl-3-methylpiperidin-4-amine

(3S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-ethyl-3-methylpiperidin-4-amine (PubChem CID 99849124) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is (3S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-ethyl-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name(3S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-ethyl-3-methylpiperidin-4-amine
PubChem CID99849124
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name(3S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-ethyl-3-methylpiperidin-4-amine
SMILESCCN1CC[C@H](NCc2ccnc(OCC3CC3)c2)[C@@H](C)C1
InChIInChI=1S/C18H29N3O/c1-3-21-9-7-17(14(2)12-21)20-11-16-6-8-19-18(10-16)22-13-15-4-5-15/h6,8,10,14-15,17,20H,3-5,7,9,11-13H2,1-2H3/t14-,17-/m0/s1
InChIKeyMNYWMMGUVMHAIH-YOEHRIQHSA-N
XLogP2.69
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-ethyl-3-methylpiperidin-4-amine?
The IUPAC name of (3S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-ethyl-3-methylpiperidin-4-amine (CID 99849124) is (3S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-ethyl-3-methylpiperidin-4-amine.
What is the SMILES notation for (3S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-ethyl-3-methylpiperidin-4-amine?
The canonical SMILES for (3S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-ethyl-3-methylpiperidin-4-amine is CCN1CC[C@H](NCc2ccnc(OCC3CC3)c2)[C@@H](C)C1.
What is the InChIKey of (3S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-ethyl-3-methylpiperidin-4-amine?
The InChIKey is MNYWMMGUVMHAIH-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H29N3O/c1-3-21-9-7-17(14(2)12-21)20-11-16-6-8-19-18(10-16)22-13-15-4-5-15/h6,8,10,14-15,17,20H,3-5,7,9,11-13H2,1-2H3/t14-,17-/m0/s1.
What are the key properties of (3S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-ethyl-3-methylpiperidin-4-amine?
(3S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-ethyl-3-methylpiperidin-4-amine has a molecular weight of 303.45 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-ethyl-3-methylpiperidin-4-amine is sourced from PubChem (CID 99849124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).