1-[(5-chloro-2-pyridinyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol

C14H22ClN3O — CID 71861356

IUPAC1-[(5-chloro-2-pyridinyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)CNc2ccc(Cl)cn2)CC1
InChIInChI=1S/C14H22ClN3O/c1-11-4-6-18(7-5-11)10-13(19)9-17-14-3-2-12(15)8-16-14/h2-3,8,11,13,19H,4-7,9-10H2,1H3,(H,16,17)
InChIKeyMQGRNSOUTDGTMQ-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.24
Rot. Bonds5

About 1-[(5-chloro-2-pyridinyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol

1-[(5-chloro-2-pyridinyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 71861356) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-[(5-chloro-2-pyridinyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(5-chloro-2-pyridinyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID71861356
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name1-[(5-chloro-2-pyridinyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)CNc2ccc(Cl)cn2)CC1
InChIInChI=1S/C14H22ClN3O/c1-11-4-6-18(7-5-11)10-13(19)9-17-14-3-2-12(15)8-16-14/h2-3,8,11,13,19H,4-7,9-10H2,1H3,(H,16,17)
InChIKeyMQGRNSOUTDGTMQ-UHFFFAOYSA-N
XLogP2.24
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-pyridinyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-[(5-chloro-2-pyridinyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 71861356) is 1-[(5-chloro-2-pyridinyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[(5-chloro-2-pyridinyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-[(5-chloro-2-pyridinyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol is CC1CCN(CC(O)CNc2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-[(5-chloro-2-pyridinyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is MQGRNSOUTDGTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-11-4-6-18(7-5-11)10-13(19)9-17-14-3-2-12(15)8-16-14/h2-3,8,11,13,19H,4-7,9-10H2,1H3,(H,16,17).
What are the key properties of 1-[(5-chloro-2-pyridinyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
1-[(5-chloro-2-pyridinyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 283.80 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-pyridinyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 71861356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).