N-[(3S,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]pyridin-2-amine

C16H27N3O — CID 100857566

IUPACN-[(3S,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]pyridin-2-amine
SMILESCCOCCCN1CC[C@H](Nc2ccccn2)[C@@H](C)C1
InChIInChI=1S/C16H27N3O/c1-3-20-12-6-10-19-11-8-15(14(2)13-19)18-16-7-4-5-9-17-16/h4-5,7,9,14-15H,3,6,8,10-13H2,1-2H3,(H,17,18)/t14-,15-/m0/s1
InChIKeyMZIUZDABHUDNKE-GJZGRUSLSA-N
MW277.41 g/mol
LogP2.63
Rot. Bonds7

About N-[(3S,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]pyridin-2-amine

N-[(3S,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]pyridin-2-amine (PubChem CID 100857566) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(3S,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3S,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]pyridin-2-amine
PubChem CID100857566
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[(3S,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]pyridin-2-amine
SMILESCCOCCCN1CC[C@H](Nc2ccccn2)[C@@H](C)C1
InChIInChI=1S/C16H27N3O/c1-3-20-12-6-10-19-11-8-15(14(2)13-19)18-16-7-4-5-9-17-16/h4-5,7,9,14-15H,3,6,8,10-13H2,1-2H3,(H,17,18)/t14-,15-/m0/s1
InChIKeyMZIUZDABHUDNKE-GJZGRUSLSA-N
XLogP2.63
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]pyridin-2-amine?
The IUPAC name of N-[(3S,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]pyridin-2-amine (CID 100857566) is N-[(3S,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]pyridin-2-amine.
What is the SMILES notation for N-[(3S,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]pyridin-2-amine?
The canonical SMILES for N-[(3S,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]pyridin-2-amine is CCOCCCN1CC[C@H](Nc2ccccn2)[C@@H](C)C1.
What is the InChIKey of N-[(3S,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]pyridin-2-amine?
The InChIKey is MZIUZDABHUDNKE-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-20-12-6-10-19-11-8-15(14(2)13-19)18-16-7-4-5-9-17-16/h4-5,7,9,14-15H,3,6,8,10-13H2,1-2H3,(H,17,18)/t14-,15-/m0/s1.
What are the key properties of N-[(3S,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]pyridin-2-amine?
N-[(3S,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]pyridin-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 100857566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).